SCHEMBL7789413

SCHEMBL7789413

COc1ccccc1C(NC(=O)c1ccccc1)c1cccc(Nc2c(N)c(=O)c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7788988 0.89 ALDH1A1 (0.47) RXFP1ALDH1A1KCNK3KCNK9GAA
SCHEMBL7789410 0.86 ALDH1A1 (0.57) RXFP1ALDH1A1KCNK9GAALMNA
SCHEMBL7785656 0.80 ALDH1A1 (0.62) ALDH1A1KCNK9GAALMNAMEN1
SCHEMBL7787608 0.79 MAPKAPK2 (0.40) ALDH1A1KCNK3KCNK9GAALMNA
SCHEMBL7780394 0.77 ALDH1A1 (0.67) ALDH1A1GAALMNAMEN1POLB
SCHEMBL27530263 0.77 KCNK3 (0.41) KCNK3KCNK9MEN1POLBKMT2A
SCHEMBL7787169 0.75 ALDH1A1 (0.58) RXFP1ALDH1A1KCNK9GAALMNA
SCHEMBL7789205 0.74 GPR88 (0.48) ALDH1A1GAALMNAMEN1POLB
SCHEMBL7787683 0.73 MAPKAPK2 (0.45) MAPK1CYP3A4MAPKAPK2
SCHEMBL7787601 0.73 MAPKAPK2 (0.45) MAPK1CYP3A4MAPKAPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed